CID 70935643

C19H16BO2 — CID 70935643

IUPAC—
SMILESCc1cccc(-c2cccc(-c3ccc(O[B]O)cc3)c2)c1
InChIInChI=1S/C19H16BO2/c1-14-4-2-5-16(12-14)18-7-3-6-17(13-18)15-8-10-19(11-9-15)22-20-21/h2-13,21H,1H3
InChIKeySNEAAVGIJQVSDE-UHFFFAOYSA-N
MW287.15 g/mol
LogP4.23
Rot. Bonds4

About CID 70935643

CID 70935643 (PubChem CID 70935643) has the molecular formula C19H16BO2 and a molecular weight of 287.15 g/mol.

Molecular Properties

Compound NameCID 70935643
PubChem CID70935643
Molecular FormulaC19H16BO2
Molecular Weight287.15 g/mol
Exact Mass287.12
IUPAC Name—
SMILESCc1cccc(-c2cccc(-c3ccc(O[B]O)cc3)c2)c1
InChIInChI=1S/C19H16BO2/c1-14-4-2-5-16(12-14)18-7-3-6-17(13-18)15-8-10-19(11-9-15)22-20-21/h2-13,21H,1H3
InChIKeySNEAAVGIJQVSDE-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
4-(3-methylphenyl)-N,N-bis[4-(3-methylphenyl)phenyl]aniline
CID 12049245
4-(3-methylphenyl)benzene-1,2-diol
CID 101298846
CID 158332419
CID 158332419

Frequently Asked Questions

What is the IUPAC name of CID 70935643?
The IUPAC name of CID 70935643 (CID 70935643) is not available.
What is the SMILES notation for CID 70935643?
The canonical SMILES for CID 70935643 is Cc1cccc(-c2cccc(-c3ccc(O[B]O)cc3)c2)c1.
What is the InChIKey of CID 70935643?
The InChIKey is SNEAAVGIJQVSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BO2/c1-14-4-2-5-16(12-14)18-7-3-6-17(13-18)15-8-10-19(11-9-15)22-20-21/h2-13,21H,1H3.
What are the key properties of CID 70935643?
CID 70935643 has a molecular weight of 287.15 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70935643 is sourced from PubChem (CID 70935643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).